2-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C14H16F3N5O4S MolecularWeight: 407.36815

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NN=C(N2N)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NN=C(N2N)C(F)(F)F

InChI

InChI=1S/C14H16F3N5O4S/c1-24-8-4-7(5-9(25-2)11(8)26-3)19-10(23)6-27-13-21-20-12(22(13)18)14(15,16)17/h4-5H,6,18H2,1-3H3,(H,19,23)